Palestra – Dr. Peter W. Kenny
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Título: “Molecular Design: One step back and two paths forward.”
. Dr. Peter W. Kenny Grupo de Química Medicinal (NEQUIMED – IQSC-USP) Data: 18 de julho. . |
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| Resumo da palestra:Although frequently asserted in the literature, the links between physicochemical properties and outcome are not quite as strong as creative data analysis might make them appear and I will open the presentation by revealing a couple of tricks that one should watch for. I will then discuss the relevance of partition coefficients (logP) to Molecular Design and explain why octanol/water may not be the best system with which to measure lipophilicity. Although more difficult to measure, alkane/water partition coefficients are arguably more relevant to Molecular Design and, when compared with their octanol/water equivalents, provide insight into hydrogen bonding. The presentation will conclude by showing how relationships between structures (e.g. Matched Molecular Pairs) can provide a useful framework in which to study biological activity and physicochemical properties
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